N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide

C15H18F3N3O2 — CID 119389396

IUPACN-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC1CCNCC1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)11-3-1-10(2-4-11)14(23)20-9-13(22)21-12-5-7-19-8-6-12/h1-4,12,19H,5-9H2,(H,20,23)(H,21,22)
InChIKeyMKWUUTAPNHNVGU-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.30
Rot. Bonds4

About N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide

N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 119389396) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID119389396
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC NameN-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC1CCNCC1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)11-3-1-10(2-4-11)14(23)20-9-13(22)21-12-5-7-19-8-6-12/h1-4,12,19H,5-9H2,(H,20,23)(H,21,22)
InChIKeyMKWUUTAPNHNVGU-UHFFFAOYSA-N
XLogP1.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880563
N-[2-(cyclobutylamino)-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 91363286
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880469
N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119452098
N-[2-(azetidin-3-ylamino)-2-oxoethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 66750350
4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide
CID 110877644
N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-3-(trifluoromethyl)benzamide
CID 18426164
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
CID 27886797
N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 47172514
N-piperidin-4-yl-4-propanoylbenzamide
CID 119388743

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide (CID 119389396) is N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide is O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC1CCNCC1.
What is the InChIKey of N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is MKWUUTAPNHNVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c16-15(17,18)11-3-1-10(2-4-11)14(23)20-9-13(22)21-12-5-7-19-8-6-12/h1-4,12,19H,5-9H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 329.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 119389396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).